5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride

C10H8ClF2NO3S — CID 131269960

IUPAC5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride
SMILESCCc1cc(C#N)cc(S(=O)(=O)Cl)c1OC(F)F
InChIInChI=1S/C10H8ClF2NO3S/c1-2-7-3-6(5-14)4-8(18(11,15)16)9(7)17-10(12)13/h3-4,10H,2H2,1H3
InChIKeyRBYHXZOOVADNPK-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.65
Rot. Bonds4

About 5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride

5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride (PubChem CID 131269960) has the molecular formula C10H8ClF2NO3S and a molecular weight of 295.69 g/mol. Its IUPAC name is 5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride
PubChem CID131269960
Molecular FormulaC10H8ClF2NO3S
Molecular Weight295.69 g/mol
Exact Mass294.99
IUPAC Name5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride
SMILESCCc1cc(C#N)cc(S(=O)(=O)Cl)c1OC(F)F
InChIInChI=1S/C10H8ClF2NO3S/c1-2-7-3-6(5-14)4-8(18(11,15)16)9(7)17-10(12)13/h3-4,10H,2H2,1H3
InChIKeyRBYHXZOOVADNPK-UHFFFAOYSA-N
XLogP2.65
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride
CID 131302281
5-cyano-3-ethyl-2-hydroxybenzenesulfonyl chloride
CID 131631570
5-cyano-2-ethoxy-3-nitrobenzenesulfonyl chloride
CID 172969761
2-bromo-4-cyano-6-ethylbenzenesulfonyl chloride
CID 131404058
5-cyano-4-(difluoromethyl)-2-ethylbenzenesulfonyl chloride
CID 131468276
ethyl 2-[5-cyano-2-(difluoromethoxy)-3-sulfanylphenyl]acetate
CID 134655734
2-(aminomethyl)-5-cyano-4-(difluoromethoxy)benzenesulfonyl chloride
CID 131509861
5-chloro-2-cyano-3-ethylbenzenesulfonyl chloride
CID 131607001
2-chloro-5-cyano-3-fluorobenzenesulfonyl chloride
CID 130882205
4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride
CID 118827927
4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride
CID 131498740
3-cyano-5-(difluoromethyl)-2-ethylbenzenesulfonyl chloride
CID 131468267

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride?
The IUPAC name of 5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride (CID 131269960) is 5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride.
What is the SMILES notation for 5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride?
The canonical SMILES for 5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride is CCc1cc(C#N)cc(S(=O)(=O)Cl)c1OC(F)F.
What is the InChIKey of 5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride?
The InChIKey is RBYHXZOOVADNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO3S/c1-2-7-3-6(5-14)4-8(18(11,15)16)9(7)17-10(12)13/h3-4,10H,2H2,1H3.
What are the key properties of 5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride?
5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride has a molecular weight of 295.69 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-(difluoromethoxy)-3-ethylbenzenesulfonyl chloride is sourced from PubChem (CID 131269960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).